13230-19-8

Basic information

• Product Name: 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole
• Synonyms: 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitro-1H-iMidazole;1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole
• CAS NO: 13230-19-8
• Molecular Formula: C₈H₁₃N₃O₂S
• Molecular Weight: 215.27272
• EINECS: 604-604-1
• Product Categories: Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds
• Mol File: 13230-19-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 60 °C
• Boiling Point: 399.9±22.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• PKA: 1.10±0.60(Predicted)
• CAS DataBase Reference: 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole(13230-19-8)
• EPA Substance Registry System: 1-[2-(Ethylthio)ethyl]-2-Methyl-4-nitroiMidazole(13230-19-8)

Safety Data

• Hazardous Substances Data: 13230-19-8(Hazardous Substances Data)

Usage

Uses

1-[2-(Ethylthio)ethyl]-2-methyl-4-nitro-1H-imidazole is an impurity of Tinidazole (T443900).

Upstream product

• 28795-33-7 1-(2-(ethylthio)ethyl)-2-methyl-5-nitro-1H-imidazole 
• 110-77-0 2-(ethylsulfanyl)ethanol 
• 696-23-1 2-methyl-5-nitro-1H-imidazole 

Relevant articles and documents

Regioselective Alkylation of 4(5)-Nitro-1H-Imidazoles in Acidic Media: Study of Temperature Effects

Alkylation of 4(5)-nitro-1H-imidazoles in acidic media with reactive alkylating agents such as benzyl chloride and allyl bromide resulted in the predominant formation of the 5-nitro isomers at lower temperatures (75 deg C) and the 4-nitro isomers at higher temperatures (140 deg C).With less reactive alkylating agents, only the 5-nitro isomers were produced irrespective of temperature.The mechanism was shown to involve quaternization of the initially formed 1-alkyl-5-nitro-1H-imidazoles followed by preferential dealkylation to yield the thermodynamically more stable 4-nitro-1H-imidazoles.